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89542-38-1 | Benzothiazolium, 3-[(4-chlorophenyl)methyl]-, bromide
CAS No: 89542-38-1 Catalog No: AG00401Q MDL No:
Product Description
Catalog Number:
AG00401Q
Chemical Name:
Benzothiazolium, 3-[(4-chlorophenyl)methyl]-, bromide
CAS Number:
89542-38-1
Molecular Formula:
C14H11BrClNS
Molecular Weight:
340.6658
IUPAC Name:
3-[(4-chlorophenyl)methyl]-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C14H11ClNS.BrH/c15-12-7-5-11(6-8-12)9-16-10-17-14-4-2-1-3-13(14)16;/h1-8,10H,9H2;1H/q+1;/p-1
InChI Key:
RBYKWIYTYCYFOG-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)C[n+]1csc2c1cccc2.[Br-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.663g/mol
Monoisotopic Mass:
338.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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